Ethanol → HCID 178483720, compound
Reaction equation
[CH3:39][CH2:40][OH:41].[IH:24].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[S:7][CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH3:22].[Na+:38].[O-:34][C:35]([OH:36])=[O:37].[s:25]1[c:26]([C:30](=[NH:31])[S:32][CH3:33])[cH:27][cH:28][cH:29]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[S:7][CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH3:22])[C:30]([c:26]1[s:25][cH:29][cH:28][cH:27]1)=[NH:31]Participants
7
Sources & evidence
- ORD record
- ord-cbc6a3e9d562415bb161b423fc8f9b5a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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